SCHEMBL21167744

SCHEMBL21167744

C[C@H](c1ccc2ncccc2c1)N(N)c1nc(-c2cnn(CCO)c2)ccc1N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.55
PDE3B Q13370 4/20 0.55
PDE3A Q14432 4/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
PDE10A Q9Y233 2/20 0.46
CYP2C9 P11712 1/20 0.46
PDE2A O00408 1/20 0.42
CHRM2 P08172 1/20 0.42
PDE4A P27815 1/20 0.42
PDE1A P54750 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
SYK P43405 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21167532 1.00 MET (0.55) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167772 0.82 MET (0.54) METPDE3BPDE3APDE4CPDE4D
SCHEMBL22475985 0.79 MET (0.46) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167399 0.78 MET (0.47) METPDE3BPDE3APDE4CPDE4D
SCHEMBL29314852 0.77 MET (0.45) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167471 0.76 MET (0.42) METPDE3BPDE3APDE4CPDE4D
SCHEMBL1329580 0.76 MET (0.81) METPDE3BPDE3APDE4CPDE4D
SCHEMBL12489756 0.76 MET (0.81) METPDE3BPDE3APDE4CPDE4D
SCHEMBL12489793 0.76 MET (0.81) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167613 0.75 MET (0.53) METPDE3BPDE3APDE10ACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
EP-3511330-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 EP disclosed
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed